SCHEMBL7216006

SCHEMBL7216006

NC(=O)C1COc2cccc(F)c2O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.44
NISCH Q9Y2I1 1/20 0.44
CA2 P00918 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
HPGD P15428 2/20 0.40
ALOX5 P09917 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7216342 0.88 CA2 (0.52) L3MBTL1MAPK1NISCHCA2SIRT2
SCHEMBL1519087 0.88 L3MBTL1 (0.45) L3MBTL1MAPK1CA2HPGDTSHR
SCHEMBL16413927 0.84 SIRT1 (0.45) L3MBTL1MAPK1NISCHSIRT2SIRT1
SCHEMBL21198399 0.83 NISCH (0.45) NISCHSIRT2SIRT1HPGDALOX5
SCHEMBL21198653 0.81 NISCH (0.44) L3MBTL1NISCHSIRT2SIRT1HPGD
SCHEMBL1519389 0.80 L3MBTL1 (0.48) L3MBTL1MAPK1HPGDTSHRMEN1
SCHEMBL11482662 0.78 SMN1; SMN2 (0.48) L3MBTL1HPGDTSHRMEN1KMT2A
SCHEMBL21198704 0.77 NPC1 (0.55) NISCHSIRT2SIRT1MEN1KMT2A
SCHEMBL30946854 0.76 NISCH (0.71) L3MBTL1NISCHHPGDALOX5MEN1
SCHEMBL2977327 0.76 NISCH (0.71) L3MBTL1NISCHHPGDALOX5MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610725-B1 Alpha 2-adrenergic receptor antagonist and intended in this respect to treat neurodegenerative diseases, PIERRE FABRE MEDICAMENT (FR) 2003-08-26 US disclosed
EP-1192152-B1 NOVEL FLUORINATED IMIDAZOLINE BENZODIOXANE, PREPARATION AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2002-11-27 EP disclosed